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PubMed code 22758660

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50390002
PNG
(CHEMBL2071404)
Show SMILES C[C@@H]1O[C@H](CC[C@@H]1O[C@@H]1O[C@@H](C)C(=O)C=C1)O[C@@H]1[C@@H](C)O[C@H](C[C@H]1O)c1ccc2C(=O)C3=C(C=C[C@]4(O)C[C@@](C)(O)CC(=O)[C@]34O)C(=O)c2c1O
Show InChI InChI=1S/C37H42O14/c1-16-22(38)7-9-27(48-16)50-24-8-10-28(49-17(24)2)51-34-18(3)47-25(13-23(34)39)19-5-6-20-29(31(19)41)32(42)21-11-12-36(45)15-35(4,44)14-26(40)37(36,46)30(21)33(20)43/h5-7,9,11-12,16-18,23-25,27-28,34,39,41,44-46H,8,10,13-15H2,1-4H3/t16-,17-,18+,23+,24-,25+,27-,28-,34+,35-,36-,37-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.35E+4n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of iNOS


J Nat Prod 75: 1383-92 (2012)


Article DOI: 10.1021/np300316b
BindingDB Entry DOI: 10.7270/Q2QZ2C1J
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50390001
PNG
(CHEMBL2071401)
Show SMILES C[C@H]1O[C@H](C[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](C)C(=O)C=C1)c1ccc2C(=O)C3=C(C=C[C@]4(O)C[C@@](C)(O)CC(=O)[C@]34O)C(=O)c2c1O
Show InChI InChI=1S/C31H32O12/c1-13-18(32)6-7-22(42-13)43-28-14(2)41-20(10-19(28)33)15-4-5-16-23(25(15)35)26(36)17-8-9-30(39)12-29(3,38)11-21(34)31(30,40)24(17)27(16)37/h4-9,13-14,19-20,22,28,33,35,38-40H,10-12H2,1-3H3/t13-,14+,19+,20+,22-,28+,29-,30-,31-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.01E+5n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of iNOS


J Nat Prod 75: 1383-92 (2012)


Article DOI: 10.1021/np300316b
BindingDB Entry DOI: 10.7270/Q2QZ2C1J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%